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Updated: Jan 9, 2026

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
Laboratory Rotational Spectroscopy of CaC3N and CaC4H
T Gur1, P B Changala2, J H Baraban1
1Department of Chemistry, Ben-Gurion University of the Negev, Beer Sheva 8410501, Israel.
Abstract:
Our understanding of the roles metal-bearing molecules play in interstellar chemistry is limited by the lack of rotational spectroscopic data crucial for astronomical identification/detection. Although calcium is the second most abundant alkaline earth metal in space (after magnesium), only two calcium-bearing molecules have been detected in space, both in the circumstellar envelope of the evolved carbon-rich star IRC+10216. In this work, we report the rotational, fine, and hyperfine structure of two linear calcium-bearing molecules, CaC3N and CaC4H, in their 2Σ+ ground electronic states. These findings both confirm the hypothesized ionic metal-ligand bonding characteristics of this class of molecules that make them potential candidates for optical cooling applications and point the way to detecting these and other calcium-bearing molecules in carbon-rich stars.
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